CID 3050298

Imidazole, 1-methyl-2-(prop-2-ynyl)thio-, hydrobromide

Structural Information

Molecular Formula
C7H8N2S
SMILES
CN1C=CN=C1SCC#C
InChI
InChI=1S/C7H8N2S/c1-3-6-10-7-8-4-5-9(7)2/h1,4-5H,6H2,2H3
InChIKey
NAKIMPZUFZRNFL-UHFFFAOYSA-N
Compound name
1-methyl-2-prop-2-ynylsulfanylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.04082 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.048096 130.2
[M+Na]+ 175.030038 142.1
[M-H]- 151.033544 130.7
[M+NH4]+ 170.074643 149.2
[M+K]+ 191.003978 139.4
[M+H-H2O]+ 135.038080 117.5
[M+HCOO]- 197.039021 143.0
[M+CH3COO]- 211.054671 183.1
[M+Na-2H]- 173.015486 132.0
[M]+ 152.04027142 127.6
[M]- 152.04136858 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.